Basic information
- Standard SMILES
CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCC1- InChIKey
OSXQUSDWEQFZQN-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O
- Average molar mass
- 308.17 g/mol
Names & identifiers
- Preferred name
- (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclopentyl)-methanone
- IUPAC
- (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclopentyl)methanone
Names & synonyms
SCHEMBL649072OSXQUSDWEQFZQN-UHFFFAOYSA-N(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclopentyl)-methanone
Database identifiers
- PubChem CID
- 44199843
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
7 records
Compound notes
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